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Appl. Phys. Lett. 95, 231906 (2009); http://dx.doi.org/10.1063/1.3272107 (3 pages)
First-principles studies of the effect of oxygen vacancies on the electronic structure and linear optical response of multiferroic BiFeO3
1Department of Physics and Jiangsu, Key Laboratory of Thin Films, Soochow University, Suzhou 215006, People’s Republic of China
2Department of Physics, The University of Texas, Austin, Texas 78712, USA
(Received 21 July 2009; accepted 17 November 2009; published online 8 December 2009)
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KEYWORDS and PACS
Keywords
antiferromagnetic materials, bismuth compounds, carrier mobility, density functional theory, dielectric function, electronic structure, ferroelectric materials, gradient methods, multiferroics, optical conductivity, vacancies (crystal)
PACS
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Permittivity (dielectric function)
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Optical constants (including refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity)
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Vacancies
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Density functional theory, local density approximation, gradient and other corrections
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Other inorganic compounds
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